(3S)-3,5-dihydroxy-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide
PubChem CID: 162864661
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| Topological Polar Surface Area | 69.6 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S)-3,5-dihydroxy-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C18H23NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ORMXABYRHUTFFE-ACJLOTCBSA-N |
| Fcsp3 | 0.3888888888888889 |
| Logs | -1.84 |
| Rotatable Bond Count | 6.0 |
| Logd | 1.692 |
| Compound Name | (3S)-3,5-dihydroxy-3-methyl-N-[(1R)-1-naphthalen-1-ylethyl]pentanamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 301.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 301.168 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 301.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.154656836363636 |
| Inchi | InChI=1S/C18H23NO3/c1-13(19-17(21)12-18(2,22)10-11-20)15-9-5-7-14-6-3-4-8-16(14)15/h3-9,13,20,22H,10-12H2,1-2H3,(H,19,21)/t13-,18+/m1/s1 |
| Smiles | C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)C[C@](C)(CCO)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tabebuia Avellanedae (Plant) Rel Props:Source_db:cmaup_ingredients